6-fluoro-5-nitropyridine-2-carboxylic acid

C6H3FN2O4 — CID 163342968

IUPAC6-fluoro-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(F)n1
InChIInChI=1S/C6H3FN2O4/c7-5-4(9(12)13)2-1-3(8-5)6(10)11/h1-2H,(H,10,11)
InChIKeyMGHLIPZPNWMZAH-UHFFFAOYSA-N
MW186.10 g/mol
LogP0.83
Rot. Bonds2

About 6-fluoro-5-nitropyridine-2-carboxylic acid

6-fluoro-5-nitropyridine-2-carboxylic acid (PubChem CID 163342968) has the molecular formula C6H3FN2O4 and a molecular weight of 186.10 g/mol. Its IUPAC name is 6-fluoro-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-5-nitropyridine-2-carboxylic acid
PubChem CID163342968
Molecular FormulaC6H3FN2O4
Molecular Weight186.10 g/mol
Exact Mass186.01
IUPAC Name6-fluoro-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(F)n1
InChIInChI=1S/C6H3FN2O4/c7-5-4(9(12)13)2-1-3(8-5)6(10)11/h1-2H,(H,10,11)
InChIKeyMGHLIPZPNWMZAH-UHFFFAOYSA-N
XLogP0.83
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-fluoro-5-nitropyridine-2-carboxylic acid (CID 163342968) is 6-fluoro-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-fluoro-5-nitropyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(F)n1.
What is the InChIKey of 6-fluoro-5-nitropyridine-2-carboxylic acid?
The InChIKey is MGHLIPZPNWMZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2O4/c7-5-4(9(12)13)2-1-3(8-5)6(10)11/h1-2H,(H,10,11).
What are the key properties of 6-fluoro-5-nitropyridine-2-carboxylic acid?
6-fluoro-5-nitropyridine-2-carboxylic acid has a molecular weight of 186.10 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 163342968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).